2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18ClN5OS/c1-11-8-12(2)16(14(19)9-11)21-15(25)10-26-18-23-22-17(24(18)20)13-6-4-3-5-7-13/h3-9H,10,20H2,1-2H3,(H,21,25)